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2-Butyl-2-[8-(methoxymethoxy)octyl]-1,3-dithiane

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

2-Butyl-2-[8-(methoxymethoxy)octyl]-1,3-dithiane
SpectraBase Compound ID GeL3FFvxTKL
InChI InChI=1S/C18H36O2S2/c1-3-4-12-18(21-15-11-16-22-18)13-9-7-5-6-8-10-14-20-17-19-2/h3-17H2,1-2H3
InChIKey NRJRETKKXUTONV-UHFFFAOYSA-N
Mol Weight 348.6 g/mol
Molecular Formula C18H36O2S2
Exact Mass 348.215673 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GC0knOq4gg6
Name 2-Butyl-2-[8-(methoxymethoxy)octyl]-1,3-dithiane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 348.215672745 u
Formula C18H36O2S2
InChI InChI=1S/C18H36O2S2/c1-3-4-12-18(21-15-11-16-22-18)13-9-7-5-6-8-10-14-20-17-19-2/h3-17H2,1-2H3
InChIKey NRJRETKKXUTONV-UHFFFAOYSA-N
Molecular Weight 348.604 g/mol
SMILES C1(SCCCS1)(CCCCCCCCOCOC)CCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.90046